(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate

C19H17Cl2N3O2 — CID 166227770

IUPAC(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)OCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H17Cl2N3O2/c20-16-6-4-14(10-17(16)21)2-1-3-19(25)26-12-15-5-7-18(23-11-15)24-9-8-22-13-24/h4-11,13H,1-3,12H2
InChIKeyZCRPSBNABDCVNI-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.64
Rot. Bonds7

About (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate

(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate (PubChem CID 166227770) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate.

Molecular Properties

Compound Name(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate
PubChem CID166227770
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)OCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H17Cl2N3O2/c20-16-6-4-14(10-17(16)21)2-1-3-19(25)26-12-15-5-7-18(23-11-15)24-9-8-22-13-24/h4-11,13H,1-3,12H2
InChIKeyZCRPSBNABDCVNI-UHFFFAOYSA-N
XLogP4.64
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate?
The IUPAC name of (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate (CID 166227770) is (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate.
What is the SMILES notation for (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate?
The canonical SMILES for (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate is O=C(CCCc1ccc(Cl)c(Cl)c1)OCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate?
The InChIKey is ZCRPSBNABDCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-16-6-4-14(10-17(16)21)2-1-3-19(25)26-12-15-5-7-18(23-11-15)24-9-8-22-13-24/h4-11,13H,1-3,12H2.
What are the key properties of (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate?
(6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate has a molecular weight of 390.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-yl-3-pyridinyl)methyl 4-(3,4-dichlorophenyl)butanoate is sourced from PubChem (CID 166227770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).